REMARK  Name = BDB033465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.517   2.377   1.414  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.799   3.342   1.602  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.239  -1.225  -1.074  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.817   0.119  -1.283  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.445   0.628  -0.036  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.964   1.932   0.130  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.856   2.744  -1.002  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.226   2.265  -2.257  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.660  -0.369   0.891  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.498  -0.264   1.885  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.705   0.959  -2.412  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.127  -1.498   0.273  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -3.086  -2.893  -2.865  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -2.704  -2.147  -2.063  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        1.171   2.323   1.669  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        1.366   2.641   3.067  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1        1.822   3.096   0.635  0.00  0.00    -0.149 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.715   0.655   1.518  0.00  0.00    +0.165 A 
ATOM     19  S   LIG    1        2.195   0.083  -0.021  0.00  0.00    -0.047 S 
ATOM     20  C   LIG    1        2.472  -1.481   0.648  0.00  0.00    +0.145 A 
ATOM     21  N   LIG    1        2.240  -1.583   1.946  0.00  0.00    -0.245 NA
ATOM     22  C   LIG    1        1.830  -0.359   2.442  0.00  0.00    +0.148 A 
BRANCH  20  23
ATOM     23  C   LIG    1        2.933  -2.598  -0.240  0.00  0.00    +0.396 C 
ATOM     24  F   LIG    1        2.010  -2.884  -1.201  0.00  0.00    -0.202 F 
ATOM     25  F   LIG    1        4.083  -2.280  -0.898  0.00  0.00    -0.202 F 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5